CID 244551

Ethyl 2-cyano-3-(4-methylanilino)prop-2-enoate

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CCOC(=O)C(=CNC1=CC=C(C=C1)C)C#N
InChI
InChI=1S/C13H14N2O2/c1-3-17-13(16)11(8-14)9-15-12-6-4-10(2)5-7-12/h4-7,9,15H,3H2,1-2H3
InChIKey
KDMYZZUPYLVGAF-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-3-(4-methylanilino)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.112806 156.1
[M+Na]+ 253.094748 164.0
[M-H]- 229.098254 158.9
[M+NH4]+ 248.139353 171.8
[M+K]+ 269.068688 160.9
[M+H-H2O]+ 213.102790 142.9
[M+HCOO]- 275.103731 175.5
[M+CH3COO]- 289.119381 204.3
[M+Na-2H]- 251.080196 158.6
[M]+ 230.10498142 151.7
[M]- 230.10607858 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.